[(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C8H13F2NO — CID 130653702

IUPAC[(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CN(CC(F)F)C[C@@H]12
InChIInChI=1S/C8H13F2NO/c9-8(10)3-11-1-5-6(2-11)7(5)4-12/h5-8,12H,1-4H2/t5-,6+,7?
InChIKeyNDKAZISEUCXNRC-MEKDEQNOSA-N
MW177.19 g/mol
LogP0.42
Rot. Bonds3

About [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 130653702) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID130653702
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name[(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CN(CC(F)F)C[C@@H]12
InChIInChI=1S/C8H13F2NO/c9-8(10)3-11-1-5-6(2-11)7(5)4-12/h5-8,12H,1-4H2/t5-,6+,7?
InChIKeyNDKAZISEUCXNRC-MEKDEQNOSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol with MolForge

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Related Compounds

{3-Methyl-3-azabicyclo[3.1.0]hexan-6-yl}methanol
CID 67269927
[(1R,5S,6R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 59540724
[1-(1-Trifluoromethyl-cyclopropylmethyl)-piperidin-4-yl]-methanol
CID 66865643
2-[1-(2,2,2-Trifluoro-ethyl)-piperidin-4-yl]-ethanol
CID 71501361
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
CID 105432623
(1S,5R)-3-(difluoromethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 129298204
(1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 129298206
[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 131061530
3-Tert-butyl-1-(1,1-difluoroethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-ol
CID 165179475
2-[3-(2,2,2-Trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol
CID 167467570
[3-(2,2,2-Trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 167468149
2-Fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol
CID 167468229

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 130653702) is [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1[C@H]2CN(CC(F)F)C[C@@H]12.
What is the InChIKey of [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is NDKAZISEUCXNRC-MEKDEQNOSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)3-11-1-5-6(2-11)7(5)4-12/h5-8,12H,1-4H2/t5-,6+,7?.
What are the key properties of [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 177.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 130653702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).